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SMILES: O.OCC1OC(Oc2cc3c(oc(=O)cc3)cc2O)C(O)C(O)C1O Canonical SMILES: OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(C(C1O)O)O.O InChI: InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2 InChIKey: CQYPGSKIFJFVDQ-UHFFFAOYSA-N
CBID:102434 http://www.chembase.cn/molecule-102434.html